ethyl 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromobenzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=CC=C3Br)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=CC=C3Br)OC)OC

InChI

InChI=1S/C21H24BrNO4/c1-4-27-21(24)23-10-9-14-12-19(25-2)20(26-3)13-16(14)18(23)11-15-7-5-6-8-17(15)22/h5-8,12-13,18H,4,9-11H2,1-3H3